(3aS,4′R,5′S,10aS,11S,12S,13aS,13bR)-2,2′-Diamino-11-(aminomethyl)-12-chloro-1,1′,3a,5′,10a,11,12,13a-octahydro-5′-hydroxyspiro[8H-cyclopenta[3,4]pyrrolo[1,2-a]imidazo[4,5-b]pyrrolo[1,2-d]pyrazine-13(10H),4′-[4H]imidazol]-8-one

CAS Registry Number®

148717-58-2

CAS Name

(3aS,4′R,5′S,10aS,11S,12S,13aS,13bR)-2,2′-Diamino-11-(aminomethyl)-12-chloro-1,1′,3a,5′,10a,11,12,13a-octahydro-5′-hydroxyspiro[8H-cyclopenta[3,4]pyrrolo[1,2-a]imidazo[4,5-b]pyrrolo[1,2-d]pyrazine-13(10H),4′-[4H]imidazol]-8-one

Molecular Formula

C17H22ClN9O2

Molecular Mass

419.87

Cite this Page

(3aS,4′R,5′S,10aS,11S,12S,13aS,13bR)-2,2′-Diamino-11-(aminomethyl)-12-chloro-1,1′,3a,5′,10a,11,12,13a-octahydro-5′-hydroxyspiro[8H-cyclopenta[3,4]pyrrolo[1,2-a]imidazo[4,5-b]pyrrolo[1,2-d]pyrazine-13(10H),4′-[4H]imidazol]-8-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=148717-58-2 (retrieved 2024-11-30) (CAS RN: 148717-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22ClN9O2/c18-10-6(4-19)7-5-27-11(28)8-2-1-3-26(8)12-17(27,25-14(20)22-12)9(7)16(10)13(29)23-15(21)24-16/h1-3,6-7,9-10,12-13,29H,4-5,19H2,(H3,20,22,25)(H3,21,23,24)/t6-,7-,9+,10+,12+,13+,16+,17-/m1/s1

InChIKey

InChIKey=VYOQBYCIIJYKJA-VORKOXQSSA-N

SMILES

O=C1N2[C@]3([C@@]4([C@]5([C@@H](Cl)[C@H](CN)[C@]4(C2)[H])[C@H](O)N=C(N)N5)[H])[C@](N6C1=CC=C6)(N=C(N)N3)[H]

Canonical SMILES

O=C1C2=CC=CN2C3N=C(N)NC43N1CC5C(CN)C(Cl)C6(NC(=NC6O)N)C54

Other Names for this Substance

  • Spiro[8H-cyclopenta[3,4]pyrrolo[1,2-a]imidazo[4,5-b]pyrrolo[1,2-d]pyrazine-13(10H),4′-[4H]imidazol]-8-one, 2,2′-diamino-11-(aminomethyl)-12-chloro-1,1′,3a,5′,10a,11,12,13a-octahydro-5′-hydroxy-, (3aS,4′R,5′S,10aS,11S,12S,13aS,13bR)-
  • (3aS,4′R,5′S,10aS,11S,12S,13aS,13bR)-2,2′-Diamino-11-(aminomethyl)-12-chloro-1,1′,3a,5′,10a,11,12,13a-octahydro-5′-hydroxyspiro[8H-cyclopenta[3,4]pyrrolo[1,2-a]imidazo[4,5-b]pyrrolo[1,2-d]pyrazine-13(10H),4′-[4H]imidazol]-8-one
  • Palauamine
  • (-)-Palauamine
  • Palau'amine

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